Phonon band structure with Orb v3 conservative inf MPA (supercell [3, 3, 3], Δ=0.01 Å); no imaginary modes; min freq = -0.03 THz
Created by route
Calculate phonon dispersion and band structure
Li3InI6_C2c - relaxed
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.03 eV/Å threshold; final energy = -26.2462 eV; energy change = -0.5830 eV; symmetry: P-31m → P-31m
Fundable Quest Proposal: Li₃MX₆ Halide Electrolyte Polymorph Screening and Conductivity Validation
A concrete, fundable quest proposal to systematically screen Li₃MX₆ halide solid-state electrolytes for stable polymorphs and validate their ionic conductivity. Built on documented gaps from Ouro screening cycles.
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